Chem. J. Chinese Universities ›› 1997, Vol. 18 ›› Issue (7): 1147.

• Articles • Previous Articles     Next Articles

Valence π-bonding  Dewar Structures and Free π-Radical Structures of Metallofullerenes

CHIU Ying-Nana1, XIAO Ji-Mei1, XIAO Xing-Cai1, HUANG Wen-Xiu,2, LI Norman N.1   

  1. 1. Department of Chemistry, The Catholic University of America, Washington DC, 20064, USA;
    2. Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin 130023, P. R. China;
    3. NL Chemical Technology Inc, 620 Rolling Lane4, Arlington Heights, IL 60004, USA.
  • Received:1997-01-31 Online:1997-07-24 Published:1997-07-24

Abstract: Theoretical considerations of the valence π-bonding and free π-radicals of fullereneshave been made.These will yield various possible symmetries and structures of the endohedral aswell as exohedral single and multiple metallofullerenes.Aside from C60 (Ih), C34 (C3v) andC28(Td), we also consider C33 (C3), C56 (Td) and C68 (Td).Such valence views will provide newaspects for the opposite views of molecular orbital calculations as well as for the arrangement ofmolecular works.

Key words: Fullerene, Metallofullerene, Valence π-bonding, Dewar structure, Free π-radical structure

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